(4-Fluoro-2-nitrophenyl)methanol

Base Information

• Chemical Name: (4-Fluoro-2-nitrophenyl)methanol
• CAS No.: 1043416-40-5
• Molecular Formula: C7H6FNO3
• Molecular Weight: 171.13
• Hs Code.: 2906290090
• DSSTox Substance ID: DTXSID30694557
• Wikidata: Q82623715
• Mol file: 1043416-40-5.mol

Synonyms:4-Fluoro-2-nitrobenzyl alcohol;(4-fluoro-2-nitrophenyl)methanol;1043416-40-5;SCHEMBL6520096;DTXSID30694557;CL9280;MFCD07368344;AKOS006286774;AS-46276;CS-0097706;A856944

Chemical Property of (4-Fluoro-2-nitrophenyl)methanol

Chemical Property:

• Boiling Point: 293.0±25.0 °C(Predicted)
• PKA: 13.70±0.10(Predicted)
• PSA: 66.05000
• Density: 1.434±0.06 g/cm3(Predicted)
• LogP: 1.74940
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 171.03317122
• Heavy Atom Count: 12
• Complexity: 171

Purity/Quality:

97% ^*data from raw suppliers

4-Fluoro-2-nitrobenzylAlcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)[N+](=O)[O-])CO

Technology Process of (4-Fluoro-2-nitrophenyl)methanol

There total 3 articles about (4-Fluoro-2-nitrophenyl)methanol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

→ (4-fluoro-2-nitrophenyl)methanol (1043416-40-5)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 0 - 70 ℃; for 4h;

Reference yield: 81.0%

4-fluorobenzylic alcohol (459-56-3) → (4-fluoro-2-nitrophenyl)methanol (1043416-40-5)

Guidance literature:

With sulfuric acid; nitric acid; at 10 ℃; for 4h; Temperature; Reagent/catalyst;

Reference yield: 78.0%

4-fluoro-2-nitrobenzoic acid (394-01-4) → (4-fluoro-2-nitrophenyl)methanol (1043416-40-5)

Guidance literature:

With dimethylsulfide borane complex; In tetrahydrofuran; at 80 ℃; for 3h; Inert atmosphere;

DOI:10.1021/acs.orglett.9b03458

upstream raw materials:

4-fluoro-2-nitrobenzoic acid

4-fluorobenzylic alcohol

Downstream raw materials:

4-fluoro-2-nitrobenzoic acid